[2-(3H-benzimidazol-5-yl)-4-fluorophenyl]methanol

C14H11FN2O — CID 171064555

IUPAC[2-(3H-benzimidazol-5-yl)-4-fluorophenyl]methanol
SMILESOCc1ccc(F)cc1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H11FN2O/c15-11-3-1-10(7-18)12(6-11)9-2-4-13-14(5-9)17-8-16-13/h1-6,8,18H,7H2,(H,16,17)
InChIKeySIGVAGHLHCBZNW-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.86
Rot. Bonds2

About [2-(3H-benzimidazol-5-yl)-4-fluorophenyl]methanol

[2-(3H-benzimidazol-5-yl)-4-fluorophenyl]methanol (PubChem CID 171064555) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is [2-(3H-benzimidazol-5-yl)-4-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(3H-benzimidazol-5-yl)-4-fluorophenyl]methanol
PubChem CID171064555
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name[2-(3H-benzimidazol-5-yl)-4-fluorophenyl]methanol
SMILESOCc1ccc(F)cc1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H11FN2O/c15-11-3-1-10(7-18)12(6-11)9-2-4-13-14(5-9)17-8-16-13/h1-6,8,18H,7H2,(H,16,17)
InChIKeySIGVAGHLHCBZNW-UHFFFAOYSA-N
XLogP2.86
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3H-benzimidazol-5-yl)-4-fluorophenyl]methanol?
The IUPAC name of [2-(3H-benzimidazol-5-yl)-4-fluorophenyl]methanol (CID 171064555) is [2-(3H-benzimidazol-5-yl)-4-fluorophenyl]methanol.
What is the SMILES notation for [2-(3H-benzimidazol-5-yl)-4-fluorophenyl]methanol?
The canonical SMILES for [2-(3H-benzimidazol-5-yl)-4-fluorophenyl]methanol is OCc1ccc(F)cc1-c1ccc2nc[nH]c2c1.
What is the InChIKey of [2-(3H-benzimidazol-5-yl)-4-fluorophenyl]methanol?
The InChIKey is SIGVAGHLHCBZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-11-3-1-10(7-18)12(6-11)9-2-4-13-14(5-9)17-8-16-13/h1-6,8,18H,7H2,(H,16,17).
What are the key properties of [2-(3H-benzimidazol-5-yl)-4-fluorophenyl]methanol?
[2-(3H-benzimidazol-5-yl)-4-fluorophenyl]methanol has a molecular weight of 242.25 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3H-benzimidazol-5-yl)-4-fluorophenyl]methanol is sourced from PubChem (CID 171064555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).